N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C18H22FN3O2 — CID 74249074

IUPACN-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCCOc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c19-14-6-2-4-8-17(14)24-12-11-20-18(23)10-9-16-13-5-1-3-7-15(13)21-22-16/h2,4,6,8H,1,3,5,7,9-12H2,(H,20,23)(H,21,22)
InChIKeyUFMPQFRSVLUXRX-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.56
Rot. Bonds7

About N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 74249074) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID74249074
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCCOc1ccccc1F
InChIInChI=1S/C18H22FN3O2/c19-14-6-2-4-8-17(14)24-12-11-20-18(23)10-9-16-13-5-1-3-7-15(13)21-22-16/h2,4,6,8H,1,3,5,7,9-12H2,(H,20,23)(H,21,22)
InChIKeyUFMPQFRSVLUXRX-UHFFFAOYSA-N
XLogP2.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylsulfanylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 74240719
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CID 91831552
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2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
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N-[2-(2-fluorophenoxy)ethyl]-3-(1H-indol-3-yl)propanamide
CID 18170635
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
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CID 46451984
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
N-(2,3-dihydro-1H-inden-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131942976
N-[2-(2-fluorophenoxy)ethyl]-3-(methanesulfonamido)propanamide
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N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 74249074) is N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is UFMPQFRSVLUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-14-6-2-4-8-17(14)24-12-11-20-18(23)10-9-16-13-5-1-3-7-15(13)21-22-16/h2,4,6,8H,1,3,5,7,9-12H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 331.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 74249074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).